2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid

C15H16N4O2 — CID 66122497

IUPAC2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid
SMILESCCc1cc(-c2nc3ccccc3n2CC(=O)O)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-3-10-8-13(18(2)17-10)15-16-11-6-4-5-7-12(11)19(15)9-14(20)21/h4-8H,3,9H2,1-2H3,(H,20,21)
InChIKeyDJYKDBCJDZSMHG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.08
Rot. Bonds4

About 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid

2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid (PubChem CID 66122497) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid
PubChem CID66122497
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid
SMILESCCc1cc(-c2nc3ccccc3n2CC(=O)O)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-3-10-8-13(18(2)17-10)15-16-11-6-4-5-7-12(11)19(15)9-14(20)21/h4-8H,3,9H2,1-2H3,(H,20,21)
InChIKeyDJYKDBCJDZSMHG-UHFFFAOYSA-N
XLogP2.08
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
CID 66126700
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(1-methylimidazol-4-yl)benzimidazol-1-yl]acetic acid
CID 114022725
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780
2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 65238724
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
CID 43349125
3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
CID 62920129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid (CID 66122497) is 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid is CCc1cc(-c2nc3ccccc3n2CC(=O)O)n(C)n1.
What is the InChIKey of 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is DJYKDBCJDZSMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-10-8-13(18(2)17-10)15-16-11-6-4-5-7-12(11)19(15)9-14(20)21/h4-8H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid?
2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 66122497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).